Accelerated discovery of stable lead-free hybrid organic-inorganic perovskites via machine learning

Lu, Shuaihua; Zhou, Qionghua; Ouyang, Yixin; Guo, Yilv; Li, Qiang; Wang, Jinlan

doi:10.1038/s41467-018-05761-w

Accelerated discovery of stable lead-free hybrid organic-inorganic perovskites via machine learning

Rapidly discovering functional materials remains an open challenge because the traditional trial-and-error methods are usually inefficient especially when thousands of candidates are treated. Here, we develop a target-driven method to predict undiscovered hybrid organic-inorganic perovskites (HOI…